2-[1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-4-yl]ethanol

C22H36N2O2 — CID 10269924

IUPAC2-[1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-4-yl]ethanol
SMILESOCCC1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1
InChIInChI=1S/C22H36N2O2/c25-17-11-20-9-15-24(16-10-20)19-21-5-7-22(8-6-21)26-18-4-14-23-12-2-1-3-13-23/h5-8,20,25H,1-4,9-19H2
InChIKeyOVDJDGHFBGJJHZ-UHFFFAOYSA-N
MW360.54 g/mol
LogP3.54
Rot. Bonds9

About 2-[1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-4-yl]ethanol

2-[1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-4-yl]ethanol (PubChem CID 10269924) has the molecular formula C22H36N2O2 and a molecular weight of 360.54 g/mol. Its IUPAC name is 2-[1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-4-yl]ethanol
PubChem CID10269924
Molecular FormulaC22H36N2O2
Molecular Weight360.54 g/mol
Exact Mass360.28
IUPAC Name2-[1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-4-yl]ethanol
SMILESOCCC1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1
InChIInChI=1S/C22H36N2O2/c25-17-11-20-9-15-24(16-10-20)19-21-5-7-22(8-6-21)26-18-4-14-23-12-2-1-3-13-23/h5-8,20,25H,1-4,9-19H2
InChIKeyOVDJDGHFBGJJHZ-UHFFFAOYSA-N
XLogP3.54
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.54
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-4-yl]ethanol?
The IUPAC name of 2-[1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-4-yl]ethanol (CID 10269924) is 2-[1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 2-[1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-4-yl]ethanol?
The canonical SMILES for 2-[1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-4-yl]ethanol is OCCC1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1.
What is the InChIKey of 2-[1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-4-yl]ethanol?
The InChIKey is OVDJDGHFBGJJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O2/c25-17-11-20-9-15-24(16-10-20)19-21-5-7-22(8-6-21)26-18-4-14-23-12-2-1-3-13-23/h5-8,20,25H,1-4,9-19H2.
What are the key properties of 2-[1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-4-yl]ethanol?
2-[1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-4-yl]ethanol has a molecular weight of 360.54 g/mol, XLogP of 3.54, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 10269924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).